3-[(Z)-[(2S)-2,3-dimethylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one

C12H17NO2 — CID 139043003

IUPAC3-[(Z)-[(2S)-2,3-dimethylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one
SMILESCC1=CCC/C(=C/N2CCOC2=O)[C@H]1C
InChIInChI=1S/C12H17NO2/c1-9-4-3-5-11(10(9)2)8-13-6-7-15-12(13)14/h4,8,10H,3,5-7H2,1-2H3/b11-8-/t10-/m0/s1
InChIKeyOLPDOORNZBQNKJ-DFYQSJSGSA-N
MW207.27 g/mol
LogP2.70
Rot. Bonds1

About 3-[(Z)-[(2S)-2,3-dimethylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one

3-[(Z)-[(2S)-2,3-dimethylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one (PubChem CID 139043003) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 3-[(Z)-[(2S)-2,3-dimethylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(Z)-[(2S)-2,3-dimethylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one
PubChem CID139043003
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name3-[(Z)-[(2S)-2,3-dimethylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one
SMILESCC1=CCC/C(=C/N2CCOC2=O)[C@H]1C
InChIInChI=1S/C12H17NO2/c1-9-4-3-5-11(10(9)2)8-13-6-7-15-12(13)14/h4,8,10H,3,5-7H2,1-2H3/b11-8-/t10-/m0/s1
InChIKeyOLPDOORNZBQNKJ-DFYQSJSGSA-N
XLogP2.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-[(Z)-[(2S)-2,3-dimethylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

3-[(Z)-[(2R,5R)-2,5-dimethylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one
CID 129396716
3-[(Z)-[(2S,5S)-2,5-dimethylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one
CID 129396778
3-[(Z)-[(2R)-2-methylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one
CID 135060874
3-[(Z)-[(2R)-2,3-dimethylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one
CID 135060875
3-[(Z)-(3,4-dimethylcyclohex-3-en-1-ylidene)methyl]-1,3-oxazolidin-2-one
CID 139043002
3-[(E)-3-methyloct-2-enyl]-1,3-oxazolidin-2-one
CID 162720047
3-[(E)-(4-methylcyclohex-3-en-1-ylidene)methyl]-1,3-oxazolidin-2-one
CID 102229995
3-[(E)-(3,4-dimethylcyclohex-3-en-1-ylidene)methyl]-1,3-oxazolidin-2-one
CID 102229996

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-[(2S)-2,3-dimethylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(Z)-[(2S)-2,3-dimethylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one (CID 139043003) is 3-[(Z)-[(2S)-2,3-dimethylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(Z)-[(2S)-2,3-dimethylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(Z)-[(2S)-2,3-dimethylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one is CC1=CCC/C(=C/N2CCOC2=O)[C@H]1C.
What is the InChIKey of 3-[(Z)-[(2S)-2,3-dimethylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one?
The InChIKey is OLPDOORNZBQNKJ-DFYQSJSGSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9-4-3-5-11(10(9)2)8-13-6-7-15-12(13)14/h4,8,10H,3,5-7H2,1-2H3/b11-8-/t10-/m0/s1.
What are the key properties of 3-[(Z)-[(2S)-2,3-dimethylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one?
3-[(Z)-[(2S)-2,3-dimethylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one has a molecular weight of 207.27 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-[(2S)-2,3-dimethylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 139043003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).